methyl 6-methyl-2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 6-methyl-2-[2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-methyl-2-[[2-(2-methylanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(o-toluidino)ethyl]thio]-6-methyl-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)OC)SCC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)OC)SCC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C21H20N2O4S/c1-12-8-9-16-14(10-12)19(25)18(21(26)27-3)20(23-16)28-11-17(24)22-15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)